REMARK  Name = BDB055158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.690  -3.062   2.095  0.00  0.00    +0.046 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.330  -3.326   0.727  0.00  0.00    +0.038 C 
BRANCH   2   6
ATOM      3  C   LIG    1       -4.203   0.191  -0.955  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1       -2.963  -0.248  -1.424  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -2.356  -1.384  -0.885  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.990  -2.108   0.129  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -4.239  -1.674   0.588  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -4.845  -0.535   0.045  0.00  0.00    +0.046 A 
BRANCH   3   9
ATOM      9  O   LIG    1       -4.685   1.298  -1.593  0.00  0.00    -0.475 OA
BRANCH   9  11
ATOM     10  C   LIG    1       -5.771   3.356  -1.947  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.676   2.148  -0.996  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.255   2.669   0.385  0.00  0.00    +0.067 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -7.082   1.524  -0.982  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -7.982   1.843  -0.218  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.249   0.577  -1.940  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.409   0.417  -2.424  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.522  -2.074   2.051  0.00  0.00    +0.229 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.471  -2.574   1.156  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.556  -1.777   0.920  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.453  -2.279  -0.026  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        3.605  -1.564  -0.364  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        3.884  -0.338   0.249  0.00  0.00    +0.086 A 
ATOM     23  C   LIG    1        2.978   0.164   1.189  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        1.823  -0.551   1.529  0.00  0.00    +0.048 A 
BRANCH  22  25
ATOM     25  N   LIG    1        5.017   0.425  -0.088  0.00  0.00    -0.149 NA
ATOM     26  N   LIG    1        6.066  -0.209   0.163  0.00  0.00    -0.149 NA
BRANCH  26  27
ATOM     27  C   LIG    1        7.202   0.556  -0.161  0.00  0.00    +0.086 A 
ATOM     28  C   LIG    1        7.445   1.011  -1.465  0.00  0.00    +0.029 A 
ATOM     29  C   LIG    1        8.598   1.742  -1.761  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        9.525   2.017  -0.756  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        9.301   1.559   0.542  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        8.147   0.828   0.834  0.00  0.00    +0.029 A 
ENDBRANCH  26  27
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11